1-hydroxy-N-(4-hydroxy-2-methylpentyl)naphthalene-2-carboxamide

C17H21NO3 — CID 111697244

IUPAC1-hydroxy-N-(4-hydroxy-2-methylpentyl)naphthalene-2-carboxamide
SMILESCC(O)CC(C)CNC(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C17H21NO3/c1-11(9-12(2)19)10-18-17(21)15-8-7-13-5-3-4-6-14(13)16(15)20/h3-8,11-12,19-20H,9-10H2,1-2H3,(H,18,21)
InChIKeyNLLNAKQKYMCXEW-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.68
Rot. Bonds5

About 1-hydroxy-N-(4-hydroxy-2-methylpentyl)naphthalene-2-carboxamide

1-hydroxy-N-(4-hydroxy-2-methylpentyl)naphthalene-2-carboxamide (PubChem CID 111697244) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-hydroxy-N-(4-hydroxy-2-methylpentyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-(4-hydroxy-2-methylpentyl)naphthalene-2-carboxamide
PubChem CID111697244
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-hydroxy-N-(4-hydroxy-2-methylpentyl)naphthalene-2-carboxamide
SMILESCC(O)CC(C)CNC(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C17H21NO3/c1-11(9-12(2)19)10-18-17(21)15-8-7-13-5-3-4-6-14(13)16(15)20/h3-8,11-12,19-20H,9-10H2,1-2H3,(H,18,21)
InChIKeyNLLNAKQKYMCXEW-UHFFFAOYSA-N
XLogP2.68
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide
CID 103726312
N-[(2R,4S)-4-hydroxy-2-methylpentyl]-2-methylquinoline-4-carboxamide
CID 95775157
methyl 2-bromo-3-[(1-hydroxynaphthalene-2-carbonyl)amino]propanoate
CID 103492634
1-hydroxy-N-(5-hydroxy-4-methylpentyl)naphthalene-2-carboxamide
CID 103864730
1-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)naphthalene-2-carboxamide
CID 111441757
N-(4-hydroxy-2-methylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 71980512
N-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide
CID 113342440
N-[2-(ethylamino)ethyl]-1-hydroxynaphthalene-2-carboxamide
CID 62656875
5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111662219
2,3-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 114344897
1-hydroxy-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide
CID 115633303
N-[2-[(4-hydroxy-2-methylpentyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 111662203

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(4-hydroxy-2-methylpentyl)naphthalene-2-carboxamide?
The IUPAC name of 1-hydroxy-N-(4-hydroxy-2-methylpentyl)naphthalene-2-carboxamide (CID 111697244) is 1-hydroxy-N-(4-hydroxy-2-methylpentyl)naphthalene-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-(4-hydroxy-2-methylpentyl)naphthalene-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-(4-hydroxy-2-methylpentyl)naphthalene-2-carboxamide is CC(O)CC(C)CNC(=O)c1ccc2ccccc2c1O.
What is the InChIKey of 1-hydroxy-N-(4-hydroxy-2-methylpentyl)naphthalene-2-carboxamide?
The InChIKey is NLLNAKQKYMCXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11(9-12(2)19)10-18-17(21)15-8-7-13-5-3-4-6-14(13)16(15)20/h3-8,11-12,19-20H,9-10H2,1-2H3,(H,18,21).
What are the key properties of 1-hydroxy-N-(4-hydroxy-2-methylpentyl)naphthalene-2-carboxamide?
1-hydroxy-N-(4-hydroxy-2-methylpentyl)naphthalene-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(4-hydroxy-2-methylpentyl)naphthalene-2-carboxamide is sourced from PubChem (CID 111697244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).